Geometry & MOs

Info

ID:	442727
PubChem CID:	135255994
Reduced:	ON8H22C24 (1)
Stoich.:	AB8C22D24 (1)
Weight, g/mol:	450.176401
ΔH_f, kcal/mol:	159.5
Dipole, Da:	7.48
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[4-[1-[[6-(1-methoxyethyl)pyridin-2-yl]methyl]triazol-4-yl]-6-(1,3-oxazol-2-yl)pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC(C1CC1)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations